6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C19H30N4O2 — CID 56871244

IUPAC6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCN1CCC(NCc2cc3c(nc2OC)CN(CC)C3=O)CC1
InChIInChI=1S/C19H30N4O2/c1-4-8-22-9-6-15(7-10-22)20-12-14-11-16-17(21-18(14)25-3)13-23(5-2)19(16)24/h11,15,20H,4-10,12-13H2,1-3H3
InChIKeyHTKLEMOPJBQYQB-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.03
Rot. Bonds7

About 6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 56871244) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID56871244
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCN1CCC(NCc2cc3c(nc2OC)CN(CC)C3=O)CC1
InChIInChI=1S/C19H30N4O2/c1-4-8-22-9-6-15(7-10-22)20-12-14-11-16-17(21-18(14)25-3)13-23(5-2)19(16)24/h11,15,20H,4-10,12-13H2,1-3H3
InChIKeyHTKLEMOPJBQYQB-UHFFFAOYSA-N
XLogP2.03
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 56871244) is 6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is CCCN1CCC(NCc2cc3c(nc2OC)CN(CC)C3=O)CC1.
What is the InChIKey of 6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is HTKLEMOPJBQYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-8-22-9-6-15(7-10-22)20-12-14-11-16-17(21-18(14)25-3)13-23(5-2)19(16)24/h11,15,20H,4-10,12-13H2,1-3H3.
What are the key properties of 6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 346.48 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 56871244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).